Magnetically induced current densities in aromatic, antiaromatic, homoaromatic, and nonaromatic hydrocarbons

Journal of Physical Chemistry A

Volumn 113, Issue 30, 2009, Pages 8668-8676

  Fliegl, Heike ^a   Sundholm, Dage ^b   Taubert, Stefan ^b   Jusélius, Jonas ^c   Klopper, Wim ^d  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF HELSINKI   (Finland)

^c UNIVERSITY OF TROMSØ   (Norway)

^d UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ANTIAROMATIC MOLECULES; AROMATIC MOLECULES; CARBON ATOMS; CURRENT FLOWING; CURRENT FLOWS; CURRENT PROFILE; CYCLOHEPTATRIENE; EXPERIMENTAL VALUES; EXTERNAL MAGNETIC FIELD; GAUGE-INCLUDING ATOMIC ORBITALS; GAUGE-INCLUDING MAGNETICALLY INDUCED CURRENTS; MAGNETICALLY INDUCED CURRENTS; MOLECULAR RINGS; MP2 LEVELS; NUCLEAR MAGNETIC SHIELDINGS; RING CURRENTS; RING STRAINS; SATURATED HYDROCARBONS; SECOND ORDERS;

ATOMS; BENZENE; CURRENT DENSITY; DENSITY FUNCTIONAL THEORY; GAGES; HYDROGEN; MAGNETIC FIELDS; MAGNETIC SHIELDING; MOLECULAR SPECTROSCOPY; MOLECULES; ORGANIC COMPOUNDS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY;

AROMATIC HYDROCARBONS;

AROMATIC HYDROCARBON;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; MAGNETISM; QUANTUM THEORY;

COMPUTER SIMULATION; HYDROCARBONS, AROMATIC; MAGNETICS; MODELS, CHEMICAL; QUANTUM THEORY;

EID: 67651162050     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9029776     Document Type: Article

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